Ligand · KLN
KLN · 1-acetyl-4-(4-{[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
KLN, 1-acetyl-4-(4-{[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine (C26 H28 Cl2 N4 O4, 531.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every…
- Component
- KLN
- Formula
- C26 H28 Cl2 N4 O4
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
KLN in 4 structures; the first of them:
- 2JJP · Structure of cytochrome P450 EryK in complex with inhibitor ketoconazole (KC) · KLN A413 · binds ILE87, HIS88, MET174, ASP175, PRO177, ALA237, ALA241, THR245 and 8 more
- 2V0M · Crystal structure of human P450 3A4 in complex with ketoconazole · KLN A1500 · binds PHE57, ARG105, SER119, LEU210, LEU211, PHE241, ILE301, PHE304 and 10 more
- 2JJP · Structure of cytochrome P450 eryk in complex with inhibitor ketoconazole (kc) · KLN A413 · binds ILE87, HIS88, MET174, ASP175, PRO177, ALA237, ALA241, THR245 and 8 more
- 2V0M · Crystal structure of human P450 3A4 in complex with ketoconazole · KLN A1500 · binds PHE57, ARG105, SER119, LEU210, LEU211, PHE241, ILE301, PHE304 and 10 more
Residues it binds most
PHE 18, LEU 16, ILE 18, ALA 10, ARG 10, THR 18, GLY 16, MET 14, SER 16, ASP 8 (residue and the binding sites it lines).
Found with
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